SCHEMBL7522032

SCHEMBL7522032

CCC(C=CC(=O)O)(C=CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.47
ESR2 Q92731 11/20 0.47
TYR P14679 2/20 0.44
CA12 O43570 1/20 0.44
AKR1B10 O60218 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
AKR1B1 P15121 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
DPP4 P27487 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 3/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8627473 0.76 ESR1 (0.44) ESR1ESR2TYRCA12AKR1B10
SCHEMBL9704009 0.74 ESR1 (0.43) ESR1ESR2TYRCA12AKR1B10
Bisphenol A SCHEMBL11694690 0.73 ESR1 (0.67) ESR1ESR2TYRCA12AKR1B10
Bisphenol A SCHEMBL29420718 0.73 ESR1 (0.67) ESR1ESR2TYRCA12AKR1B10
Maleic Acid SCHEMBL11213277 0.71 MAPT (0.73) ESR1ESR2TYRCA12AKR1B10
Fumaric Acid SCHEMBL30327066 0.71 MAPT (0.73) ESR1ESR2TYRCA12AKR1B10
Fumaric Acid SCHEMBL11213285 0.71 MAPT (0.73) ESR1ESR2TYRCA12AKR1B10
SCHEMBL9705010 0.70 ESR1 (0.53) ESR1ESR2TYRCA12AKR1B10
SCHEMBL4192907 0.69 ESR1 (0.54) ESR1ESR2TYRCA2ALDH1A1
SCHEMBL28692951 0.69 ESR1 (0.54) ESR1ESR2TYRALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020051922-A1 Dry toner, image forming method and prodcess cartridge CANON KABUSHIKI KAISHA (JP) 2002-05-02 US disclosed
US-5756363-A Liposome reagent for immunoagglutination and immunoanalytical method NISSUI PHARMACEUTICAL CO., LTD. (JP) 1998-05-26 US disclosed
EP-0683397-A1 REAGENT FOR IMMUNOAGGLUTINATION AND IMMUNOANALYTICAL METHOD NISSUI PHARMACEUTICAL CO., LTD. (JP) 1995-11-22 EP disclosed